{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6_3" } "basis-atom-coordinates" { "source-value" [ [ 0.770129 0.643415 0.250722 ] [ 0.356585 0.126714 0.250722 ] [ 0.126714 0.770129 0.750722 ] [ 0.643415 0.873286 0.750722 ] [ 0.873286 0.229871 0.250722 ] [ 0.229871 0.356585 0.750722 ] [ 0 0 0.22302 ] [ 0 0 0.72302 ] [ 0.666667 0.333333 0.831644 ] [ 0.333333 0.666667 0.331644 ] [ 0.666667 0.333333 0.454353 ] [ 0.519793 0.416944 0.986247 ] [ 0.250873 0.088996 0.735359 ] [ 0.583056 0.102849 0.986247 ] [ 0.749127 0.911004 0.235359 ] [ 0.911004 0.161877 0.735359 ] [ 0.088996 0.838123 0.235359 ] [ 0.838123 0.749127 0.735359 ] [ 0.333333 0.666667 0.954353 ] [ 0.161877 0.250873 0.235359 ] [ 0.102849 0.519793 0.486247 ] [ 0.480207 0.583056 0.486247 ] [ 0.897151 0.480207 0.986247 ] [ 0.416944 0.897151 0.486247 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Cu" "Cu" "Ge" "Ge" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "a" { "source-value" 10.1979003956 "source-unit" "angstrom" } "c" { "source-value" 5.86365164 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.0323904370833334 "source-unit" "eV" } }